(2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene

C23H22F4O2 — CID 144733915

About (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene

(2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene (PubChem CID 144733915) has the molecular formula C23H22F4O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene.

Molecular Properties

• Compound Name: (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene
• PubChem CID: 144733915
• Molecular Formula: C23H22F4O2
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.16
• IUPAC Name: (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene
• SMILES: C=C(/C=C(\F)C(=C)OC)C(=C)/C(F)=C1/Oc2c(cc(CCC)c(F)c2F)CC1=C
• InChI: InChI=1S/C23H22F4O2/c1-7-8-16-11-17-9-13(3)22(29-23(17)21(27)20(16)26)19(25)14(4)12(2)10-18(24)15(5)28-6/h10-11H,2-5,7-9H2,1,6H3/b18-10+,22-19-
• InChIKey: QBOHFSFXRFKTON-ZMANXLTQSA-N
• XLogP: 6.72
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene?

The IUPAC name of (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene (CID 144733915) is (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene.

What is the SMILES notation for (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene?

The canonical SMILES for (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene is C=C(/C=C(\F)C(=C)OC)C(=C)/C(F)=C1/Oc2c(cc(CCC)c(F)c2F)CC1=C.

What is the InChIKey of (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene?

The InChIKey is QBOHFSFXRFKTON-ZMANXLTQSA-N. The full InChI is InChI=1S/C23H22F4O2/c1-7-8-16-11-17-9-13(3)22(29-23(17)21(27)20(16)26)19(25)14(4)12(2)10-18(24)15(5)28-6/h10-11H,2-5,7-9H2,1,6H3/b18-10+,22-19-.

What are the key properties of (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene?

(2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene has a molecular weight of 406.42 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene is sourced from PubChem (CID 144733915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).